3-(2,5-dimethoxyphenyl)-4-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-4-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C23H26NO5+ MolecularWeight: 396.45624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C23H25NO5/c1-14-16-7-8-19(25)18(13-24-10-4-5-11-24)22(16)29-23(26)21(14)17-12-15(27-2)6-9-20(17)28-3/h6-9,12,25H,4-5,10-11,13H2,1-3H3/p+1